(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid

C13H18N4O4 — CID 107831001

IUPAC(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1ccc(NC(=O)N[C@H](CCC(N)=O)C(=O)O)c(C)n1
InChIInChI=1S/C13H18N4O4/c1-7-3-4-9(8(2)15-7)16-13(21)17-10(12(19)20)5-6-11(14)18/h3-4,10H,5-6H2,1-2H3,(H2,14,18)(H,19,20)(H2,16,17,21)/t10-/m1/s1
InChIKeyLSALAJOOMWPSEE-SNVBAGLBSA-N
MW294.31 g/mol
LogP0.54
Rot. Bonds6

About (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107831001) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107831001
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1ccc(NC(=O)N[C@H](CCC(N)=O)C(=O)O)c(C)n1
InChIInChI=1S/C13H18N4O4/c1-7-3-4-9(8(2)15-7)16-13(21)17-10(12(19)20)5-6-11(14)18/h3-4,10H,5-6H2,1-2H3,(H2,14,18)(H,19,20)(H2,16,17,21)/t10-/m1/s1
InChIKeyLSALAJOOMWPSEE-SNVBAGLBSA-N
XLogP0.54
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107830876
5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
(2R)-5-amino-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107830691
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
5-amino-2-[(4-chloro-2-iodophenyl)carbamoylamino]-5-oxopentanoic acid
CID 107628334
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831142
(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 61203190
5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 61481097
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanedioic acid
CID 61182556
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831031

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid (CID 107831001) is (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid is Cc1ccc(NC(=O)N[C@H](CCC(N)=O)C(=O)O)c(C)n1.
What is the InChIKey of (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is LSALAJOOMWPSEE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-7-3-4-9(8(2)15-7)16-13(21)17-10(12(19)20)5-6-11(14)18/h3-4,10H,5-6H2,1-2H3,(H2,14,18)(H,19,20)(H2,16,17,21)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107831001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).